(E)-1-diethoxyphosphoryl-1-iodopent-1-ene

C9H18IO3P — CID 135080967

IUPAC(E)-1-diethoxyphosphoryl-1-iodopent-1-ene
SMILESCCC/C=C(/I)P(=O)(OCC)OCC
InChIInChI=1S/C9H18IO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h8H,4-7H2,1-3H3/b9-8-
InChIKeyXDVLBOCVQLCSAN-HJWRWDBZSA-N
MW332.12 g/mol
LogP4.33
Rot. Bonds7

About (E)-1-diethoxyphosphoryl-1-iodopent-1-ene

(E)-1-diethoxyphosphoryl-1-iodopent-1-ene (PubChem CID 135080967) has the molecular formula C9H18IO3P and a molecular weight of 332.12 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1-iodopent-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-1-iodopent-1-ene
PubChem CID135080967
Molecular FormulaC9H18IO3P
Molecular Weight332.12 g/mol
Exact Mass332.00
IUPAC Name(E)-1-diethoxyphosphoryl-1-iodopent-1-ene
SMILESCCC/C=C(/I)P(=O)(OCC)OCC
InChIInChI=1S/C9H18IO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h8H,4-7H2,1-3H3/b9-8-
InChIKeyXDVLBOCVQLCSAN-HJWRWDBZSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-Diethoxyphosphorylpenta-1,2-diene
CID 12534453
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346
2-Diethoxyphosphorylhexa-2,3-diene
CID 135064822
(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene
CID 11474216
5-Diethoxyphosphoryl-5-iodopent-1-ene
CID 101795413
1-Diethoxyphosphoryl-5-iodopent-1-ene
CID 53837983
1-Diethoxyphosphoryl-4-iodobut-1-ene
CID 53882439
4-Diethoxyphosphoryl-5-iodopent-1-ene
CID 54108653
4-Diethoxyphosphoryl-4-iodobut-1-ene
CID 54291083
(E)-1-diethoxyphosphoryl-5-iodopent-1-ene
CID 88482430
(E)-1-diethoxyphosphoryl-4-iodobut-1-ene
CID 88482508

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1-iodopent-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-1-iodopent-1-ene (CID 135080967) is (E)-1-diethoxyphosphoryl-1-iodopent-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-1-iodopent-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-1-iodopent-1-ene is CCC/C=C(/I)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-1-iodopent-1-ene?
The InChIKey is XDVLBOCVQLCSAN-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H18IO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h8H,4-7H2,1-3H3/b9-8-.
What are the key properties of (E)-1-diethoxyphosphoryl-1-iodopent-1-ene?
(E)-1-diethoxyphosphoryl-1-iodopent-1-ene has a molecular weight of 332.12 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-1-iodopent-1-ene is sourced from PubChem (CID 135080967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).